# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47354400
_cell_length_b   4.77222699
_cell_length_c   47.78170888
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.99310915
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni22
_cell_volume   544.828955388
_cell_formula_units_Z   22
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni1  1  0.578358  0.153440  0.294972  1
  Ni  Ni2  1  0.311088  0.619485  0.301166  1
  Ni  Ni3  1  0.970989  0.938850  0.334917  1
  Ni  Ni4  1  0.703332  0.403812  0.341441  1
  Ni  Ni5  1  0.363654  0.724140  0.374802  1
  Ni  Ni6  1  0.095961  0.188949  0.381395  1
  Ni  Ni7  1  0.756419  0.509579  0.414821  1
  Ni  Ni8  1  0.488694  0.974312  0.421393  1
  Ni  Ni9  1  0.149164  0.294969  0.454835  1
  Ni  Ni10  1  0.881466  0.759754  0.461404  1
  Ni  Ni11  1  0.541925  0.080390  0.494849  1
  Ni  Ni12  1  0.274229  0.545179  0.501417  1
  Ni  Ni13  1  0.934688  0.865816  0.534862  1
  Ni  Ni14  1  0.666990  0.330600  0.541431  1
  Ni  Ni15  1  0.327460  0.651257  0.574873  1
  Ni  Ni16  1  0.059735  0.115991  0.581445  1
  Ni  Ni17  1  0.720193  0.436621  0.614871  1
  Ni  Ni18  1  0.452499  0.901429  0.621464  1
  Ni  Ni19  1  0.112822  0.221758  0.654826  1
  Ni  Ni20  1  0.845165  0.686720  0.661350  1
  Ni  Ni21  1  0.505065  0.006085  0.695100  1
  Ni  Ni22  1  0.237795  0.472129  0.701294  1
